Benzene → Tebutam

HRID 296139Notes

Reaction equation

HRID 296139 reaction equation
[C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])(=[O:24])[Cl:25].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]([CH3:10])[CH3:11].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]([CH3:10])[CH3:11])[C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24]

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 62493Pivaloyl chlorideHCID 66024Isopropylbenzylamine

Product 1

HCID 92299Tebutam

Sources & evidence

ORD record
ord-5bb335f5166b42afb996908b4dd39900
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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